SCHEMBL513496

SCHEMBL513496

CCCNc1ncccc1C[NH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
UTS2R Q9UKP6 2/20 0.42
GRM5 P41594 1/20 0.40
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
NPC1 O15118 1/20 0.37
LATS1 O95835 3/20 0.36
LATS2 Q9NRM7 2/20 0.36
APP P05067 1/20 0.36
PDE5A O76074 2/20 0.36
HTT P42858 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
FDPS P14324 2/20 0.35
CASP6 P55212 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL513431 0.90 TLR8 (0.49) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL318142 0.86 POLB (0.42) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL317633 0.83 PRKCH (0.42) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL318735 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL513497 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL514531 0.82 UTS2R (0.46) ALDH1A1KDM4EHPGDHSD17B10UTS2R
SCHEMBL317839 0.82 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10GRM5
SCHEMBL317692 0.82 UTS2R (0.46) ALDH1A1KDM4EHSD17B10UTS2RTLR7
SCHEMBL317554 0.82 CYP2C19 (0.51) KDM4EPOLB
SCHEMBL317953 0.78 GRM5 (0.37) ALDH1A1KDM4EHPGDHSD17B10GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US claimed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US claimed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR ALDH1A1 3674/4885KDM4E 4866/4885HPGD 560/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 ALDH1A1 1573/4885KDM4E 4828/4885HPGD 1005/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR ALDH1A1 3674/4885KDM4E 4866/4885HPGD 560/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR ALDH1A1 4419/4885KDM4E 4853/4885HPGD 743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.